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6-(5-chloro-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 6gdPGXFVhE5
InChI InChI=1S/C19H17ClN4O3S/c1-25-14-9-10(20)8-12(16(14)26-2)17-21-13-7-5-4-6-11(13)15-18(27-17)22-19(28-3)24-23-15/h4-9,17,21H,1-3H3
InChIKey CMHVRYOUZAORPL-UHFFFAOYSA-N
Mol Weight 416.88 g/mol
Molecular Formula C19H17ClN4O3S
Exact Mass 416.070989 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gl4NjhdJQdy
Name 6-(5-chloro-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H17ClN4O3S/c1-25-14-9-10(20)8-12(16(14)26-2)17-21-13-7-5-4-6-11(13)15-18(27-17)22-19(28-3)24-23-15/h4-9,17,21H,1-3H3
InChIKey CMHVRYOUZAORPL-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7199
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8195034; UBI_ID: UBI-007202
Temperature 308 °C